ethyl-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-24(16-21(26)23-15-20-9-6-14-28-20)17-22(27)25-12-10-19(11-13-25)18-7-4-3-5-8-18/h3-10,14H,2,11-13,15-17H2,1H3,(H,23,26)/p+1